3-(4-benzoyl-1,4-diazepan-1-yl)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-(4-benzoyl-1,4-diazepan-1-yl)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
3-(4-benzoyl-1,4-diazepan-1-yl)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | P533-0252 |
| Compound Name: | 3-(4-benzoyl-1,4-diazepan-1-yl)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1N1CCCN(CC1)C(c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3189 |
| logD: | 3.3189 |
| logSw: | -3.5064 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.917 |
| InChI Key: | XBNKJAGFHMZHBB-UHFFFAOYSA-N |